N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(S)-glutamic acid: a three-dimensional framework structure built from O-H...O, N-H...O and O-H...N hydrogen bonds

The title compound, C(10)H(13)N(5)O(6), exhibits a highly polarized molecular-electronic structure and the conformation is influenced by two intramolecular N-H.O hydrogen bonds. The molecules are linked into a single framework by hydrogen bonds of types O-H.O [O-H = 1.22, H.O = 1.38, O.O = 2.558 (6)...

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Bibliographic Details
Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2003-04, Vol.59 (Pt 4), p.o210-o212
Main Authors: ARRANZ MASCAROS, Paloma, GUTIERREZ VALERO, M. Dolores, LOW, John N, GLIDEWELL, Christopher
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Crystallography, X-Ray
Exact sciences and technology
Glutamic Acid - analogs & derivatives
Glutamic Acid - chemistry
Heterocyclic compounds
Hydrogen Bonding
Models, Molecular
Molecular Conformation
Molecular Structure
Organic compounds
Physics
Pyrimidines - chemistry
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
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Description
Summary:The title compound, C(10)H(13)N(5)O(6), exhibits a highly polarized molecular-electronic structure and the conformation is influenced by two intramolecular N-H.O hydrogen bonds. The molecules are linked into a single framework by hydrogen bonds of types O-H.O [O-H = 1.22, H.O = 1.38, O.O = 2.558 (6) A and O-H.O = 160 degrees ], N-H.O [H.O = 2.26, N.O = 2.866 (6) A and N-H.O = 126 degrees ] and O-H.N [O-H = 1.26, H.N = 1.56, O.N = 2.811 (6) A and O-H.N = 170 degrees ]. The substructure generated by the O-H.O and N-H.O hydrogen bonds takes the form of a double helix.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270103005754